High‐pressure elastic properties of major materials of Earth's mantle from first principles
BB Karki, L Stixrude… - Reviews of Geophysics, 2001 - Wiley Online Library
The elasticity of materials is important for our understanding of processes ranging from brittle
failure, to flexure, to the propagation of elastic waves. Seismologically revealed structure of …
failure, to flexure, to the propagation of elastic waves. Seismologically revealed structure of …
First-principles modelling of Earth and planetary materials at high pressures and temperatures
Atomic-scale materials modelling based on first-principles quantum mechanics is playing an
important role in the science of the Earth and the other planets. We outline the basic theory …
important role in the science of the Earth and the other planets. We outline the basic theory …
Symmetry-general least-squares extraction of elastic data for strained materials from ab initio calculations of stress
Y Le Page, P Saxe - Physical Review B, 2002 - APS
A symmetry-general approach for the least-squares, therefore precise, extraction of elastic
coefficients for strained materials is reported. It analyzes stresses calculated ab initio for …
coefficients for strained materials is reported. It analyzes stresses calculated ab initio for …
[图书][B] Introduction to the Physics of the Earth's Interior
JP Poirier - 2000 - books.google.com
Enlarged and fully updated, this new edition takes into account the considerable
experimental and theoretical progress recently made in the field. Introduction to the Physics …
experimental and theoretical progress recently made in the field. Introduction to the Physics …
Phase transition in MgSiO3 perovskite in the earth's lower mantle
T Tsuchiya, J Tsuchiya, K Umemoto… - Earth and Planetary …, 2004 - Elsevier
A new polymorph of MgSiO3 more stable than the Pbnm-perovskite phase has been
identified by first-principles computations. It has the CaIrO3 structure with Cmcm symmetry …
identified by first-principles computations. It has the CaIrO3 structure with Cmcm symmetry …
Symmetry-general least-squares extraction of elastic coefficients from ab initio total energy calculations
Y Le Page, P Saxe - Physical Review B, 2001 - APS
A symmetry-general scheme for the simultaneous least-squares extraction of the elastic
coefficients and of the residual strain components from ab initio total energy calculations on …
coefficients and of the residual strain components from ab initio total energy calculations on …
Structure and elasticity of MgO at high pressure
The structural and elastic properties of MgO periclase were studied up to 150 GPa with the
first-principles pseudopotential method within the local density approximation. The …
first-principles pseudopotential method within the local density approximation. The …
The elasticity of the MgSiO3 post-perovskite phase in the Earth's lowermost mantle
T Iitaka, K Hirose, K Kawamura, M Murakami - Nature, 2004 - nature.com
MgSiO3 perovskite has been assumed to be the dominant component of the Earth's lower
mantle, although this phase alone cannot explain the discontinuity in seismic velocities …
mantle, although this phase alone cannot explain the discontinuity in seismic velocities …
Dynamic stabilization of cubic perovskite at high temperatures and pressures from ab initio molecular dynamics
T Sun, DB Zhang, RM Wentzcovitch - Physical Review B, 2014 - APS
The stability of cubic Ca Si O 3 perovskite (CaPv) at high temperatures and pressures is
investigated by vibrational normal-mode analysis. We compute power spectra of mode …
investigated by vibrational normal-mode analysis. We compute power spectra of mode …
Ab initio elasticity of three high‐pressure polymorphs of silica
Full elastic constant tensors of three high‐pressure polymorphs of silica: stishovite, CaCl2‐
type and columbite‐type (α‐PbO2 structure); are determined at lower mantle pressures from …
type and columbite‐type (α‐PbO2 structure); are determined at lower mantle pressures from …